CID 52108194
3-{[4-(methylamino)quinazolin-2-yl]amino}benzoic acid hydrochloride
Structural Information
- Molecular Formula
- C16H14N4O2
- SMILES
- CNC1=NC(=NC2=CC=CC=C21)NC3=CC=CC(=C3)C(=O)O
- InChI
- InChI=1S/C16H14N4O2/c1-17-14-12-7-2-3-8-13(12)19-16(20-14)18-11-6-4-5-10(9-11)15(21)22/h2-9H,1H3,(H,21,22)(H2,17,18,19,20)
- InChIKey
- ATKIOCNKZKNVQS-UHFFFAOYSA-N
- Compound name
- 3-[[4-(methylamino)quinazolin-2-yl]amino]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.11894 | 165.9 |
[M+Na]+ | 317.10088 | 173.4 |
[M-H]- | 293.10438 | 169.9 |
[M+NH4]+ | 312.14548 | 178.0 |
[M+K]+ | 333.07482 | 168.1 |
[M+H-H2O]+ | 277.10892 | 156.2 |
[M+HCOO]- | 339.10986 | 186.8 |
[M+CH3COO]- | 353.12551 | 176.3 |
[M+Na-2H]- | 315.08633 | 173.7 |
[M]+ | 294.11111 | 164.9 |
[M]- | 294.11221 | 164.9 |
Literature stripe
Patent stripe
No patent data available for this compound.